SitesBLAST
Comparing 3608139 Dshi_1544 3-hydroxybutyrate dehydrogenase (RefSeq) to proteins with known functional sites using BLASTp with E ≤ 0.001.
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Found 20 (the maximum) hits to proteins with known functional sites (download)
2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
61% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 2ztlA
- active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156), L200 (≠ T197)
- binding (3s)-3-hydroxybutanoic acid: Q94 (= Q91), S142 (= S139), H144 (= H141), K152 (= K149), Y155 (= Y152), Q196 (= Q193)
- binding nicotinamide-adenine-dinucleotide: G11 (= G12), G15 (= G16), I16 (= I17), F36 (= F37), L64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), L113 (≠ I110), Y155 (= Y152), K159 (= K156), P185 (= P182), W187 (≠ Y184), V188 (= V185), T190 (= T187), V193 (= V190)
1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
61% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 1wmbA
5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
59% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 5b4tA
- active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156), I200 (≠ T197)
- binding (3R)-3-hydroxybutanoic acid: Q94 (= Q91), S142 (= S139), H144 (= H141), K152 (= K149), Y155 (= Y152), W187 (≠ Y184), Q196 (= Q193)
- binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), G15 (= G16), I16 (= I17), F36 (= F37), D63 (= D64), L64 (≠ M65), N90 (= N87), G92 (= G89), L113 (≠ I110), I140 (= I137), Y155 (= Y152), K159 (= K156), P185 (= P182), G186 (= G183), W187 (≠ Y184), V188 (= V185), T190 (= T187), L192 (= L189), V193 (= V190)
3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
59% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 3w8dA
- active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156), I200 (≠ T197)
- binding methylmalonic acid: Q94 (= Q91), S142 (= S139), H144 (= H141), K152 (= K149), Y155 (= Y152), W187 (≠ Y184), Q196 (= Q193), W257 (= W254)
- binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), S14 (= S15), G15 (= G16), I16 (= I17), F36 (= F37), A62 (= A63), D63 (= D64), L64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), L113 (≠ I110), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), G186 (= G183), W187 (≠ Y184), V188 (= V185), T190 (= T187), L192 (= L189), V193 (= V190)
3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
59% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 3vdrA
- active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156), I200 (≠ T197)
- binding (3R)-3-hydroxybutanoic acid: Q94 (= Q91), H144 (= H141), K152 (= K149), Y155 (= Y152), W187 (≠ Y184), Q196 (= Q193), W257 (= W254)
- binding acetoacetic acid: Q94 (= Q91), H144 (= H141), K152 (= K149), Y155 (= Y152), W187 (≠ Y184), Q196 (= Q193), W257 (= W254)
- binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), I16 (= I17), F36 (= F37), D63 (= D64), L64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), L113 (≠ I110), K159 (= K156), G186 (= G183), V188 (= V185), T190 (= T187), L192 (= L189), V193 (= V190)
- binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G12), T13 (≠ N14), I16 (= I17), F36 (= F37), D63 (= D64), L64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), L113 (≠ I110), S142 (= S139), Y155 (= Y152), K159 (= K156), G186 (= G183), V188 (= V185), T190 (= T187), L192 (= L189), V193 (= V190)
3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
59% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 3vdqA
- active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156), I200 (≠ T197)
- binding acetate ion: Q94 (= Q91), H144 (= H141), K152 (= K149), W187 (≠ Y184), L192 (= L189), Q196 (= Q193)
- binding nicotinamide-adenine-dinucleotide: G11 (= G12), S14 (= S15), I16 (= I17), F36 (= F37), D63 (= D64), L64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), L113 (≠ I110), I140 (= I137), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), G186 (= G183), W187 (≠ Y184), V188 (= V185), T190 (= T187), L192 (= L189), V193 (= V190)
1x1tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas fragi complexed with NAD+ (see paper)
58% identity, 99% coverage: 3:256/257 of query aligns to 2:235/236 of 1x1tA
- active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156)
- binding cacodylate ion: S142 (= S139), H144 (= H141), Y155 (= Y152), W187 (≠ Y184), W233 (= W254)
- binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), S14 (= S15), G15 (= G16), I16 (= I17), G35 (≠ S36), F36 (= F37), D63 (= D64), L64 (≠ M65), N90 (= N87), G92 (= G89), L113 (≠ I110), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), W187 (≠ Y184), V188 (= V185), T190 (= T187)
5yssB Crystal structure of aminocaproic acid cyclase in complex with NAD (+) (see paper)
55% identity, 99% coverage: 2:256/257 of query aligns to 1:254/255 of 5yssB
- binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), S14 (= S15), G15 (= G16), I16 (= I17), G35 (≠ S36), F36 (= F37), L60 (≠ I61), N86 (= N87), G88 (= G89), I89 (= I90), A137 (= A138), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183), V184 (= V185), T186 (= T187)
2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
56% identity, 99% coverage: 2:256/257 of query aligns to 1:254/255 of 2q2qD
- active site: G15 (= G16), S138 (= S139), Y151 (= Y152), K155 (= K156), R196 (≠ K200)
- binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), S14 (= S15), G15 (= G16), I16 (= I17), F36 (= F37), D59 (= D64), L60 (≠ M65), N86 (= N87), G88 (= G89), L109 (≠ I110), I136 (= I137), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183), W183 (≠ Y184), V184 (= V185), T186 (= T187), L188 (= L189), V189 (= V190)
6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
41% identity, 99% coverage: 3:256/257 of query aligns to 5:260/261 of 6zzsD
- active site: G18 (= G16), S143 (= S139), Y156 (= Y152)
- binding nicotinamide-adenine-dinucleotide: G14 (= G12), S17 (= S15), I19 (= I17), D38 (≠ S36), M39 (≠ F37), D64 (= D64), V65 (≠ M65), N91 (= N87), A92 (= A88), G93 (= G89), M141 (≠ I137), A142 (= A138), S143 (= S139), Y156 (= Y152), K160 (= K156), P186 (= P182), G187 (= G183), V189 (= V185), T191 (= T187), L193 (= L189)
- binding 3-oxidanylidenepentanoic acid: Q95 (= Q91), S143 (= S139), N145 (≠ H141), K153 (= K149), Y156 (= Y152), Q197 (= Q193)
6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
41% identity, 99% coverage: 3:256/257 of query aligns to 4:259/260 of 6zzqA
- active site: G17 (= G16), S142 (= S139), Y155 (= Y152)
- binding acetoacetic acid: Q94 (= Q91), S142 (= S139), K152 (= K149), Y155 (= Y152), Q196 (= Q193)
- binding nicotinamide-adenine-dinucleotide: G13 (= G12), S16 (= S15), G17 (= G16), I18 (= I17), D37 (≠ S36), M38 (≠ F37), D63 (= D64), V64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), M140 (≠ I137), A141 (= A138), S142 (= S139), Y155 (= Y152), K159 (= K156), Y187 (= Y184), V188 (= V185), T190 (= T187)
8dt1C Crystal structure of a putative d-beta-hydroxybutyrate dehydrogenase from burkholderia cenocepacia j2315 in complex with NAD
41% identity, 98% coverage: 2:254/257 of query aligns to 1:256/259 of 8dt1C
- binding nicotinamide-adenine-dinucleotide: G11 (= G12), S14 (= S15), G15 (= G16), I16 (= I17), D35 (≠ S36), L36 (≠ F37), M60 (≠ A63), V62 (≠ M65), N88 (= N87), A89 (= A88), M139 (≠ I137), Y154 (= Y152), K158 (= K156), P184 (= P182), G185 (= G183), F186 (≠ Y184), V187 (= V185), T189 (= T187)
6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
36% identity, 99% coverage: 3:257/257 of query aligns to 3:248/248 of 6ixmC
- active site: G16 (= G16), S142 (= S139), Y155 (= Y152), K159 (= K156)
- binding nicotinamide-adenine-dinucleotide: G12 (= G12), S15 (= S15), G16 (= G16), I17 (= I17), D36 (= D39), I37 (≠ R40), A61 (= A63), D62 (= D64), T63 (≠ M65), N89 (= N87), A90 (= A88), M140 (≠ I137), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), A186 (≠ G183), Y187 (= Y184), I188 (≠ V185), L192 (= L189)
4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
39% identity, 99% coverage: 1:254/257 of query aligns to 1:245/247 of 4jroC
- active site: G16 (= G16), S142 (= S139), Q152 (≠ K149), Y155 (= Y152), K159 (= K156)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (≠ N14), R15 (≠ S15), G16 (= G16), I17 (= I17), N35 (= N35), Y36 (≠ S36), N37 (≠ F37), G38 (≠ T38), S39 (≠ D39), N63 (≠ D64), V64 (≠ M65), N90 (= N87), A91 (= A88), I93 (= I90), I113 (= I110), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), I188 (≠ V185), T190 (= T187)
6zzpA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from psychrobacter arcticus complexed with NAD+ and 3-oxovalerate (see paper)
37% identity, 98% coverage: 3:254/257 of query aligns to 8:262/265 of 6zzpA
- binding nicotinamide-adenine-dinucleotide: G17 (= G12), S20 (= S15), G21 (= G16), I22 (= I17), D41 (≠ S36), I42 (≠ F37), M66 (≠ R59), D67 (≠ Y60), V68 (≠ I61), N94 (= N87), A95 (= A88), G96 (= G89), M145 (≠ I137), S147 (= S139), Y160 (= Y152), K164 (= K156), P190 (= P182), F192 (≠ Y184), V193 (= V185), T195 (= T187), L197 (= L189), V198 (= V190)
- binding 3-oxidanylidenepentanoic acid: Q98 (= Q91), S147 (= S139), H149 (= H141), K157 (= K149), Y160 (= Y152), F192 (≠ Y184), Q201 (= Q193)
6zzoC Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from psychrobacter arcticus complexed with NAD+ and acetoacetate (see paper)
37% identity, 98% coverage: 3:254/257 of query aligns to 8:262/265 of 6zzoC
- binding acetoacetic acid: Q98 (= Q91), H149 (= H141), K157 (= K149), F192 (≠ Y184), Q201 (= Q193)
- binding nicotinamide-adenine-dinucleotide: G17 (= G12), S20 (= S15), G21 (= G16), I22 (= I17), D41 (≠ S36), I42 (≠ F37), M66 (≠ R59), D67 (≠ Y60), V68 (≠ I61), N94 (= N87), A95 (= A88), G96 (= G89), M145 (≠ I137), Y160 (= Y152), K164 (= K156), P190 (= P182), F192 (≠ Y184), V193 (= V185), T195 (= T187), L197 (= L189), V198 (= V190)
3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
34% identity, 97% coverage: 6:254/257 of query aligns to 5:244/246 of 3osuA
7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
37% identity, 98% coverage: 1:253/257 of query aligns to 4:244/247 of 7tzpG
- binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G12), R18 (≠ S15), G19 (= G16), I20 (= I17), D39 (= D39), R40 (= R40), C63 (≠ A63), I65 (≠ M65), N91 (= N87), G93 (= G89), I94 (= I90), V114 (≠ I110), Y155 (= Y152), K159 (= K156), I188 (≠ V185), T190 (= T187), T193 (≠ V190)
3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
35% identity, 96% coverage: 6:253/257 of query aligns to 2:236/239 of 3sj7A
- active site: G12 (= G16), S138 (= S139), Q148 (≠ K149), Y151 (= Y152), K155 (= K156)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G12), S10 (≠ N14), R11 (≠ S15), I13 (= I17), N31 (= N35), Y32 (≠ S36), A33 (≠ F37), G34 (≠ T38), S35 (≠ D39), A58 (= A63), N59 (≠ D64), V60 (≠ M65), N86 (= N87), A87 (= A88), T109 (≠ I110), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183)
5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
34% identity, 100% coverage: 1:256/257 of query aligns to 3:254/255 of 5itvA
- active site: G18 (= G16), S141 (= S139), Y154 (= Y152), K158 (= K156)
- binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G12), S17 (= S15), G18 (= G16), I19 (= I17), D38 (≠ S36), I39 (≠ F37), T61 (≠ A63), I63 (≠ M65), N89 (= N87), G91 (= G89), T139 (≠ I137), S141 (= S139), Y154 (= Y152), K158 (= K156), P184 (= P182), G185 (= G183), I186 (≠ Y184), I187 (≠ V185)
Query Sequence
>3608139 Dshi_1544 3-hydroxybutyrate dehydrogenase (RefSeq)
MSLKGKTAVITGSNSGIGLGIAWELARAGADVVLNSFTDREEDHALADEIARETGVYARY
IKADMSKGDDCRALIESAGTCDILVNNAGIQHVAPIDEFPVDKWDAIIAINMNSAFHTTA
AALPMMRKAGWGRVVNIASAHGLTASPYKAAYVAAKHGVVGMTKTVALETAQEPITCNAI
CPGYVLTPLVEAQIPNTMEKYDMGREEVIKQVMLERQPSKEFATVEQLGGTCVFLCSDAA
AQITGTTISVDGGWTAL
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SitesBLAST's Database
SitesBLAST's database includes
(1) SwissProt
entries with experimentally-supported functional features;
and (2) protein structures with bound ligands, from the
BioLip database.
by Morgan Price,
Arkin group
Lawrence Berkeley National Laboratory